/*--------------------------------*- C++ -*----------------------------------*\
  =========                 |
  \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox
   \\    /   O peration     | Website:  https://openfoam.org
    \\  /    A nd           | Version:  dev
     \\/     M anipulation  |
\*---------------------------------------------------------------------------*/
FoamFile
{
    format      ascii;
    class       dictionary;
    location    "constant";
    object      physicalProperties.vapour;
}
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //

thermoType
{
    type            heRhoThermo;
    mixture         multicomponentMixture;
    transport       sutherland;
    thermo          janaf;
    equationOfState perfectGas;
    specie          specie;
    energy          sensibleEnthalpy;
}

defaultSpecie Ar;

species
(
    O2
    TiCl4
    TiO2
    TiO2_s
    Cl2
    Ar
    N2
);

// Data from NASA Technical Memorandum 4513
Ar
{
    specie
    {
        molWeight   39.948;
    }
    thermodynamics
    {
        Tlow            200;
        Thigh           6000;
        Tcommon         1000;
        highCpCoeffs    (2.5 0 0 0 0 -7.4537500e2 4.37967491);
        lowCpCoeffs     (2.5 0 0 0 0 -7.4537500e2 4.37967491);
    }
    transport
    {
        As          2.038169524e-6;
        Ts          165;
    }
}

N2
{
    specie
    {
        molWeight   28.0134;
    }
    thermodynamics
    {
        Tlow            0;
        Thigh           5000;
        Tcommon         1000;
        highCpCoeffs    (2.92664 0.00148798 -5.68476e-7 1.0097e-10 -6.75335e-15 -922.798 5.98053);
        lowCpCoeffs     (3.29868 0.00140824 -3.96322e-6 5.64152e-9 -2.44485e-12 -1020.9 3.95037);
    }
    transport
    {
        As          1.406732195e-6;
        Ts          111;
    }
}

O2
{
    specie
    {
        molWeight   31.99825;
    }
    thermodynamics
    {
        Tlow            200;
        Thigh           6000;
        Tcommon         1000;
        highCpCoeffs    (3.66096083 6.56365523e-4 -1.41149485e-7 2.05797658e-11 -1.29913248e-15 -1.21597725e3 3.41536184);
        lowCpCoeffs     (3.78245636 -2.99673415e-3 9.84730200e-6 -9.68129508e-9 3.24372836e-12 -1.06394356e3 3.65767573);
    }
    transport
    {
        As          1.6934113e-6;
        Ts          127;
    }
}


TiCl4
{
    specie
    {
        molWeight   189.6908;
    }
    thermodynamics
    {
        Tlow            280;
        Thigh           5000;
        Tcommon         1000;
        highCpCoeffs    (1.71426430e1 1.09370870e-3 -1.06903110e-9 2.66167570e-13 -2.27944800e-17 -1.01880270e5 -6.76401420e1);
        lowCpCoeffs     (1.70660420e1 1.57771680e-3 -1.08703760e-6 1.03903080e-9 -3.60225300e-13 -1.01871340e5 -6.73082280e1);
    }
    transport
    {
        As          1.6934113e-6; // Taken from oxygen
        Ts          127;
    }
}

TiO2
{
    specie
    {
        molWeight   79.87880;
    }
    thermodynamics
    {
        Tlow            280;
        Thigh           5000;
        Tcommon         1000;
        highCpCoeffs    (6.84891510 4.24634610e-3 -3.00889840e-6 1.06025190e-9 -1.43795970e-13 -1.15992460e5 -3.45141060e1);
        lowCpCoeffs     (-1.61175170e-1 3.79666600e-2 -6.51547500e-5 5.25521360e-8 -1.62000510e-11 -1.14788970e5 -1.88740350);
    }
    transport
    {
        As          1.6934113e-6; // Taken from oxygen
        Ts          127;
    }
}

TiO2_s
{
    $TiO2;
}

Cl2
{
    specie
    {
        molWeight   70.90540;
    }
    thermodynamics
    {
        Tlow            200;
        Thigh           6000;
        Tcommon         1000;
        highCpCoeffs    (4.74727508 -4.88581710e-4 2.68444871e-7 -2.43476083e-11 -1.03683148e-15 -1.51101862e3 -3.44551305e-1);
        lowCpCoeffs     (2.73638114 7.83525799e-3 -1.45104963e-5 1.25730834e-8 -4.13247145e-12 -1.05880114e3 9.44555879);
    }
    transport
    {
        As          1.6934113e-6; // Taken from oxygen
        Ts          127;
    }
}


// ************************************************************************* //
